Binding information for 1zd5_ligand_1_1.mol2(FDBF00119)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1zd5_ligand_1_1.mol2 | 1zd5 | 1 | -5.67 | NC(=O)NC | 5 |
Structure and binding mode of 1zd5_ligand_1_1.mol2(FDBF00119)
Important binding residues for 1zd5_ligand_1_1.mol2(FDBF00119)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1zd5 | PHE265 | -0.38 | -0.41 | -0.79 | 0.47 | -0.33 |
| 1zd5 | TRP334 | -0.82 | -0.48 | -1.3 | 0.41 | -0.89 |
| 1zd5 | TYR381 | -0.05 | -7.15 | -7.2 | 6.71 | -0.49 |
| 1zd5 | VAL497 | -0.34 | 0.07 | -0.27 | -0.28 | -0.55 |
| 1zd5 | LEU498 | -0.71 | -0.27 | -0.98 | 0.36 | -0.62 |
